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Chemical ID: 4601958
Chemical ID:
4601958
Name [?]:
2,2,4-trimethyl-1H-quinolin-6-ol
SMILES [?]:
CC1=CC(Nc2c1cc(cc2)O)(C)C
InChi [?]:
InChI=1/C12H15NO/c1-8-7-12(2,3)13-11-5-4-9(14)6-10(8)11/h4-7,13-14H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,13,14,10,11,8,3,2,9,7,6,4,5,12/E:(2,3)/rA:14nCCCCNCCCCCCOCC/rB:s1;d2;s3;s4;s5;s2s6;d7;s8;d9;d6s10;s9;s4;s4;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H15NO |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.12823 |
Area: | 353.964 |
Solvation: | -1.72088 |
Coulombic: | -28.4018 |
Bond Count [?]
All: | 15 |
Single: | 11 |
Double: | 4 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 189.254 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 2 |
XLogP: | 2.54 |
LogP (Chemaxon): | 2.24 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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